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Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel 1,2,3-Triazole Tagged 5-[(1H-Indol-3-yl)methylene]pyrimidine-2,4,6(1H,3H,5H)trione Derivatives

Novel 5-{(1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-1H-indol-3-yl)methylene}pyrimidine-2,4,6-(1H,3H,5H)trione derivatives (5a–5k) were synthesized by the click reaction. All compounds 5a–5k were characterized by 1H and 13C NMR, IR and Mass spectra and evaluated for their in vitro… Click to show full abstract

Novel 5-{(1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-1H-indol-3-yl)methylene}pyrimidine-2,4,6-(1H,3H,5H)trione derivatives (5a–5k) were synthesized by the click reaction. All compounds 5a–5k were characterized by 1H and 13C NMR, IR and Mass spectra and evaluated for their in vitro anticancer activity against cervical cancer cell lines. Among all, compound 5e (IC50 = 6.76 μM), shown high inhibitory activity. Docking analysis of all the compounds with the Lipid kinase PI3K-α revealed that the compound 5e fitted well in the active site pocket, showing the best docking score (LibDock) of 123.274.

Keywords: pyrimidine trione; indol methylene; methylene pyrimidine; trione derivatives

Journal Title: Russian Journal of General Chemistry
Year Published: 2018

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